SCHEMBL5745852

SCHEMBL5745852

N#CCS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TXNRD1 Q16881 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10976389 0.85 BCHE (0.49) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL14378211 0.80 BCHE (0.49) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL1958962 0.79 KIF11 (0.51) BCHEACHEKIF11KMT2ACA1
SCHEMBL4073629 0.78 MMP2 (0.50) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL14426927 0.76 BCHE (0.46) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL3237305 0.75 KEAP1 (0.46) BCHEACHECA12CA1CA2
SCHEMBL514549 0.75 BCHE (0.47) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL20499450 0.75 BCHE (0.47) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL19857239 0.75 KIF11 (0.54) BCHEACHEKIF11ALDH1A1TSHR
SCHEMBL514550 0.75 BCHE (0.50) BCHEACHEKIF11ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed